SCHEMBL14374379

SCHEMBL14374379

C=C(C)[C@@H]1CC[C@]2(COC3CCCCO3)CCC3[C@H](CC[C@@H]4[C@@]5(C)C=C(C=O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CA9 Q16790 3/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ ABCB1 P08183 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5440871 0.86 CA9 (0.41) CA9CA1CA2
SCHEMBL13910945 0.86 CA9 (0.41) CA9CA1CA2
SCHEMBL14374377 0.84 HSD17B10 (0.43) HSD17B10TDP1
SCHEMBL14374382 0.82 HSD17B10 (0.39) HSD17B10TDP1CA9CA1CA2
SCHEMBL13910947 0.79 SLC10A1 (0.44) CA9CA1CA2
SCHEMBL5448119 0.78 CA9 (0.42) CA9CA1CA2
SCHEMBL14374329 0.78 CA9 (0.42) CA9CA1CA2
SCHEMBL5454240 0.76 CA9 (0.41) CA9CA1CA2
SCHEMBL14374326 0.76 CA9 (0.41) CA9CA1CA2
SCHEMBL13942634 0.75 TOP2A (0.30) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — US disclosed
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin BET1, PGGT1B, BRCA1 HSD17B10 2825/4885TDP1 3403/4885CA9 779/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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